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{
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{
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"structure_string": "Tm8 Al8\n1.0\n5.554812 0.000000 0.000000\n0.000000 5.794505 0.000000\n0.000000 0.000000 11.287725\nTm Al\n8 8\ndirect\n0.250000 0.160670 0.017641 Tm\n0.750000 0.839330 0.982359 Tm\n0.750000 0.160670 0.482359 Tm\n0.250000 0.839330 0.517641 Tm\n0.250000 0.397453 0.331167 Tm\n0.750000 0.602547 0.668833 Tm\n0.750000 0.397453 0.168833 Tm\n0.250000 0.602547 0.831167 Tm\n0.000000 0.931085 0.250000 Al\n0.500000 0.068915 0.750000 Al\n0.000000 0.068915 0.750000 Al\n0.500000 0.931085 0.250000 Al\n0.250000 0.658904 0.096875 Al\n0.750000 0.341096 0.903125 Al\n0.750000 0.658904 0.403125 Al\n0.250000 0.341096 0.596875 Al\n",
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"formula_full": "Tm8 Al8",
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{
"id": "mp-1102430",
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"structure_string": "Sb4 Te4 Ir4\n1.0\n6.489960 0.000000 0.000000\n0.000000 6.489960 0.000000\n0.000000 0.000000 6.489960\nSb Te Ir\n4 4 4\ndirect\n0.873577 0.373577 0.126423 Sb\n0.373577 0.126423 0.873577 Sb\n0.126423 0.873577 0.373577 Sb\n0.626423 0.626423 0.626423 Sb\n0.127084 0.627084 0.872916 Te\n0.627084 0.872916 0.127084 Te\n0.872916 0.127084 0.627084 Te\n0.372916 0.372916 0.372916 Te\n0.497400 0.997400 0.502600 Ir\n0.997400 0.502600 0.497400 Ir\n0.502600 0.497400 0.997400 Ir\n0.002600 0.002600 0.002600 Ir\n",
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"formula_full": "Sb4 Te4 Ir4",
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{
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"structure_string": "Li4 Co4 P4 O16\n1.0\n0.002173 0.000739 4.961534\n9.756998 -0.006719 0.004120\n-0.004231 6.181121 0.000883\nLi Co P O\n4 4 4 16\ndirect\n0.000446 0.000133 0.999249 Li\n0.000566 0.999723 0.500472 Li\n0.499722 0.499792 0.000056 Li\n0.500170 0.499994 0.499934 Li\n0.030605 0.663178 0.750010 Co\n0.530984 0.837171 0.250206 Co\n0.469410 0.162446 0.748608 Co\n0.968958 0.337395 0.250382 Co\n0.458648 0.177499 0.249229 P\n0.958645 0.322446 0.750656 P\n0.041622 0.677242 0.250008 P\n0.541209 0.822908 0.750138 P\n0.769774 0.157334 0.250005 O\n0.269611 0.342572 0.750778 O\n0.730516 0.656837 0.250001 O\n0.229949 0.843567 0.750241 O\n0.880967 0.165953 0.750556 O\n0.380329 0.333950 0.250096 O\n0.618713 0.666284 0.749452 O\n0.119211 0.833742 0.250417 O\n0.334417 0.108622 0.045735 O\n0.333389 0.108410 0.452215 O\n0.833435 0.391558 0.953873 O\n0.833635 0.391228 0.547366 O\n0.166513 0.608313 0.046484 O\n0.166260 0.608107 0.453143 O\n0.665894 0.892068 0.547173 O\n0.666401 0.891528 0.953518 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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"spacegroup": 62
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{
"id": "mp-22330",
"created_at": "2022-09-04T14:47:13.359382Z",
"structure_string": "Tl4 V4 O12\n1.0\n5.305669 0.000000 0.000000\n0.000000 5.920836 0.000000\n0.000000 0.000000 11.351662\nTl V O\n4 4 12\ndirect\n0.079036 0.750000 0.904026 Tl\n0.079036 0.250000 0.595974 Tl\n0.920964 0.250000 0.095974 Tl\n0.920964 0.750000 0.404026 Tl\n0.541640 0.750000 0.668909 V\n0.541640 0.250000 0.831091 V\n0.458360 0.250000 0.331091 V\n0.458360 0.750000 0.168909 V\n0.570312 0.500000 0.250000 O\n0.429688 0.000000 0.750000 O\n0.429688 0.500000 0.750000 O\n0.570312 0.000000 0.250000 O\n0.427089 0.750000 0.531886 O\n0.427089 0.250000 0.968114 O\n0.572911 0.250000 0.468114 O\n0.572911 0.750000 0.031886 O\n0.141572 0.750000 0.162273 O\n0.141572 0.250000 0.337727 O\n0.858428 0.250000 0.837727 O\n0.858428 0.750000 0.662273 O\n",
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},
{
"id": "mp-1174149",
"created_at": "2022-09-04T14:47:10.567885Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n3.093882 0.000000 0.000000\n0.430095 5.050974 0.000000\n0.982956 2.136195 9.735968\nLi Mn Co O\n4 3 1 8\ndirect\n0.000642 0.751483 0.750919 Li\n0.500555 0.752692 0.247378 Li\n0.499445 0.247308 0.752622 Li\n0.999358 0.248517 0.249081 Li\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.477783 0.867829 0.886545 O\n0.976316 0.865129 0.383620 O\n0.978590 0.357963 0.885909 O\n0.475952 0.365229 0.382833 O\n0.524048 0.634771 0.617167 O\n0.021410 0.642037 0.114091 O\n0.023684 0.134871 0.616380 O\n0.522217 0.132171 0.113455 O\n",
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{
"id": "mp-1201467",
"created_at": "2022-09-04T14:47:10.652288Z",
"structure_string": "Bi2 Os6 C18 O18\n1.0\n8.107137 0.421427 2.874879\n4.053360 8.784543 0.116571\n0.219915 -0.318466 13.271365\nBi Os C O\n2 6 18 18\ndirect\n0.506491 0.782019 0.412906 Bi\n0.493509 0.217981 0.587094 Bi\n0.693566 0.783519 0.191713 Os\n0.306434 0.216481 0.808287 Os\n0.481780 0.567905 0.282396 Os\n0.518220 0.432095 0.717604 Os\n0.337839 0.856506 0.238550 Os\n0.662161 0.143494 0.761450 Os\n0.909142 0.647660 0.219577 C\n0.090858 0.352340 0.780423 C\n0.800596 0.738255 0.034224 C\n0.199404 0.261745 0.965776 C\n0.739296 0.953260 0.205414 C\n0.260704 0.046740 0.794586 C\n0.689047 0.410730 0.307314 C\n0.310953 0.589270 0.692686 C\n0.322530 0.510272 0.388208 C\n0.677470 0.489728 0.611792 C\n0.486698 0.456733 0.159449 C\n0.513302 0.543267 0.840551 C\n0.109886 0.872991 0.343524 C\n0.890114 0.127009 0.656476 C\n0.240448 0.896266 0.128543 C\n0.759552 0.103734 0.871457 C\n0.295107 0.066797 0.268421 C\n0.704893 0.933203 0.731579 C\n0.039201 0.563830 0.237621 O\n0.960799 0.436170 0.762379 O\n0.886599 0.709338 0.940147 O\n0.113401 0.290662 0.059853 O\n0.751806 0.066956 0.216261 O\n0.248194 0.933044 0.783739 O\n0.814579 0.315369 0.324098 O\n0.185421 0.684631 0.675902 O\n0.215997 0.481979 0.454899 O\n0.784003 0.518021 0.545101 O\n0.491602 0.376446 0.091853 O\n0.508398 0.623554 0.908147 O\n0.969263 0.892910 0.412707 O\n0.030737 0.107090 0.587293 O\n0.180320 0.919785 0.060453 O\n0.819680 0.080215 0.939547 O\n0.261427 0.194205 0.297306 O\n0.738573 0.805795 0.702694 O\n",
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{
"id": "mp-776134",
"created_at": "2022-09-04T14:47:09.700557Z",
"structure_string": "Li8 Mn2 V6 P16 O56\n1.0\n4.872222 0.000000 0.000000\n-0.059228 8.286431 0.000000\n-0.664521 -0.203966 26.670351\nLi Mn V P O\n8 2 6 16 56\ndirect\n0.160263 0.638579 0.668775 Li\n0.160712 0.639487 0.168872 Li\n0.338784 0.137034 0.580939 Li\n0.337140 0.137823 0.081612 Li\n0.660254 0.638622 0.918887 Li\n0.661290 0.639266 0.418698 Li\n0.838756 0.137836 0.831315 Li\n0.837091 0.137771 0.331183 Li\n0.149841 0.000920 0.183006 Mn\n0.649268 0.000620 0.432802 Mn\n0.148327 0.000155 0.682055 V\n0.350746 0.499781 0.567890 V\n0.351499 0.501318 0.068165 V\n0.648431 0.000548 0.932381 V\n0.851005 0.500467 0.817939 V\n0.851577 0.500620 0.318164 V\n0.138730 0.820348 0.869526 P\n0.170756 0.216523 0.978603 P\n0.140901 0.822377 0.369424 P\n0.168980 0.215432 0.477815 P\n0.330562 0.715923 0.771456 P\n0.361254 0.318999 0.880570 P\n0.332505 0.712901 0.271659 P\n0.361146 0.319424 0.379340 P\n0.638775 0.819691 0.619119 P\n0.670522 0.215881 0.728416 P\n0.640914 0.822798 0.119788 P\n0.669448 0.216002 0.228022 P\n0.832347 0.713286 0.521432 P\n0.860451 0.318995 0.630449 P\n0.830865 0.715762 0.021565 P\n0.861480 0.319632 0.129469 P\n0.004420 0.156134 0.626289 O\n0.054873 0.461148 0.620649 O\n0.094395 0.321967 0.848662 O\n0.001872 0.157944 0.123826 O\n0.053728 0.464201 0.120733 O\n0.143076 0.565726 0.770740 O\n0.090474 0.325127 0.348665 O\n0.125343 0.674075 0.538403 O\n0.219199 0.847145 0.811778 O\n0.142481 0.563834 0.271920 O\n0.186905 0.304551 0.528265 O\n0.124361 0.675583 0.037224 O\n0.282704 0.347130 0.938284 O\n0.222534 0.846988 0.311719 O\n0.190566 0.304713 0.028632 O\n0.310321 0.803066 0.721436 O\n0.355228 0.066937 0.979021 O\n0.281746 0.344550 0.437876 O\n0.375625 0.175988 0.712636 O\n0.317116 0.795987 0.221310 O\n0.405585 0.822409 0.901240 O\n0.353304 0.065770 0.479381 O\n0.369343 0.175765 0.213844 O\n0.407099 0.823828 0.402166 O\n0.446081 0.961474 0.629265 O\n0.504915 0.156144 0.876370 O\n0.494235 0.656174 0.623409 O\n0.448480 0.964576 0.129639 O\n0.555152 0.461649 0.870629 O\n0.501240 0.157891 0.373685 O\n0.496329 0.658636 0.123668 O\n0.553606 0.463553 0.370608 O\n0.593710 0.321627 0.598735 O\n0.624551 0.675954 0.787260 O\n0.643080 0.563460 0.521425 O\n0.590757 0.325306 0.098652 O\n0.689747 0.303246 0.778797 O\n0.624418 0.672935 0.288428 O\n0.720101 0.846105 0.561606 O\n0.642456 0.566249 0.020934 O\n0.688185 0.306282 0.278058 O\n0.810463 0.803049 0.971457 O\n0.782295 0.346894 0.688434 O\n0.721653 0.847825 0.061897 O\n0.875907 0.176356 0.962753 O\n0.817425 0.796394 0.471260 O\n0.855604 0.066576 0.728909 O\n0.782247 0.344867 0.187711 O\n0.868957 0.175468 0.463662 O\n0.905457 0.822262 0.651196 O\n0.853611 0.066252 0.229449 O\n0.946140 0.961870 0.879492 O\n0.993776 0.656729 0.873523 O\n0.907475 0.824170 0.152204 O\n0.948405 0.964212 0.379390 O\n0.996626 0.658102 0.373459 O\n",
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